2-(cyclobuten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C10H17BO2 — CID 141481602

IUPAC2-(cyclobuten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2=CCC2)OC1(C)C
InChIInChI=1S/C10H17BO2/c1-9(2)10(3,4)13-11(12-9)8-6-5-7-8/h6H,5,7H2,1-4H3
InChIKeyLLTZEZDNMMMYFJ-UHFFFAOYSA-N
MW180.06 g/mol
LogP2.34
Rot. Bonds1

About 2-(cyclobuten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(cyclobuten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 141481602) has the molecular formula C10H17BO2 and a molecular weight of 180.06 g/mol. Its IUPAC name is 2-(cyclobuten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(cyclobuten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID141481602
Molecular FormulaC10H17BO2
Molecular Weight180.06 g/mol
Exact Mass180.13
IUPAC Name2-(cyclobuten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2=CCC2)OC1(C)C
InChIInChI=1S/C10H17BO2/c1-9(2)10(3,4)13-11(12-9)8-6-5-7-8/h6H,5,7H2,1-4H3
InChIKeyLLTZEZDNMMMYFJ-UHFFFAOYSA-N
XLogP2.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.06
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclobuten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(cyclobuten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 141481602) is 2-(cyclobuten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(cyclobuten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(cyclobuten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(C2=CCC2)OC1(C)C.
What is the InChIKey of 2-(cyclobuten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is LLTZEZDNMMMYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BO2/c1-9(2)10(3,4)13-11(12-9)8-6-5-7-8/h6H,5,7H2,1-4H3.
What are the key properties of 2-(cyclobuten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(cyclobuten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 180.06 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobuten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 141481602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).